1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

C14H15N3O3 — CID 63146607

IUPAC1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C14H15N3O3/c1-14(13(19)20)4-5-17(8-14)12(18)9-2-3-11-10(6-9)7-15-16-11/h2-3,6-7H,4-5,8H2,1H3,(H,15,16)(H,19,20)
InChIKeySVQKFPQYJMTJJH-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.50
Rot. Bonds2

About 1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63146607) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63146607
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C14H15N3O3/c1-14(13(19)20)4-5-17(8-14)12(18)9-2-3-11-10(6-9)7-15-16-11/h2-3,6-7H,4-5,8H2,1H3,(H,15,16)(H,19,20)
InChIKeySVQKFPQYJMTJJH-UHFFFAOYSA-N
XLogP1.50
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
CID 103357503
1-(3,4-dimethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166899
(3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 129469253
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone
CID 124589837
3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142818
1-(4-aminobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144123
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817
(3R)-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695753
1-(4-ethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55164202
(3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone
CID 62916238
(3S)-3-methyl-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148601
(3S)-3-methyl-1-(4-methyl-3-methylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125132542

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (CID 63146607) is 1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)c2ccc3[nH]ncc3c2)C1.
What is the InChIKey of 1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is SVQKFPQYJMTJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-14(13(19)20)4-5-17(8-14)12(18)9-2-3-11-10(6-9)7-15-16-11/h2-3,6-7H,4-5,8H2,1H3,(H,15,16)(H,19,20).
What are the key properties of 1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).